| SpectraBase Compound ID | JMCSlycsq5O |
|---|---|
| InChI | InChI=1S/C29H36O18/c1-13(32)40-11-21-24(41-14(2)33)25(42-15(3)34)26(43-16(4)35)28(44-21)47-29(12-31)27(23(39)20(10-30)46-29)45-22(38)8-6-17-5-7-18(36)19(37)9-17/h5-9,20-21,23-28,30-31,36-37,39H,10-12H2,1-4H3/b8-6+/t20-,21+,23-,24+,25-,26+,27+,28+,29+/m0/s1 |
| InChIKey | BEJCHAYPPPRUFL-ZDQPEMRPSA-N |
| Mol Weight | 672.6 g/mol |
| Molecular Formula | C29H36O18 |
| Exact Mass | 672.190164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BKfiHLshzoS |
|---|---|
| Name | 3-O-CAFFEOYL-BETA-D-FRUCTOFURANOSYL-2,3,4,6-TETRA-O-ACETYL-ALPHA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O18 |
| InChI | InChI=1S/C29H36O18/c1-13(32)40-11-21-24(41-14(2)33)25(42-15(3)34)26(43-16(4)35)28(44-21)47-29(12-31)27(23(39)20(10-30)46-29)45-22(38)8-6-17-5-7-18(36)19(37)9-17/h5-9,20-21,23-28,30-31,36-37,39H,10-12H2,1-4H3/b8-6+/t20-,21+,23-,24+,25-,26+,27+,28+,29+/m0/s1 |
| InChIKey | BEJCHAYPPPRUFL-ZDQPEMRPSA-N |
| Literature Reference Author | O.M.ABDALLAH,M.S.KAMEL,M.H.MOHAMED |
| Literature Reference Citation | PHYTOCHEM.,37,1689(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89593-X |
| Molecular Weight | 672.594 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS6444 |